2-(5-bromo-2-methoxyphenyl)-N-methylpropan-1-amine

C11H16BrNO — CID 82089445

IUPAC2-(5-bromo-2-methoxyphenyl)-N-methylpropan-1-amine
SMILESCNCC(C)c1cc(Br)ccc1OC
InChIInChI=1S/C11H16BrNO/c1-8(7-13-2)10-6-9(12)4-5-11(10)14-3/h4-6,8,13H,7H2,1-3H3
InChIKeyVDMIVHCDSBSVPH-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.78
Rot. Bonds4

About 2-(5-bromo-2-methoxyphenyl)-N-methylpropan-1-amine

2-(5-bromo-2-methoxyphenyl)-N-methylpropan-1-amine (PubChem CID 82089445) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-N-methylpropan-1-amine
PubChem CID82089445
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name2-(5-bromo-2-methoxyphenyl)-N-methylpropan-1-amine
SMILESCNCC(C)c1cc(Br)ccc1OC
InChIInChI=1S/C11H16BrNO/c1-8(7-13-2)10-6-9(12)4-5-11(10)14-3/h4-6,8,13H,7H2,1-3H3
InChIKeyVDMIVHCDSBSVPH-UHFFFAOYSA-N
XLogP2.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(2,4,5-trimethoxyphenyl)propan-1-amine
CID 112514037
3-(5-bromo-2-methoxyphenyl)butane-1-thiol
CID 83933737
3-(5-bromo-2-methoxyphenyl)butanal
CID 83844200
2-(5-bromo-2-fluorophenyl)-N-methylpropan-1-amine
CID 82974107
1-(5-bromo-2-methoxyphenyl)-1-chloro-N-methylmethanamine
CID 116962060
(5-bromo-2-methoxyphenyl)-(methylamino)methanol
CID 116954641
N-[1-(5-bromo-2-methoxyphenyl)ethyl]hydroxylamine
CID 130061479
1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-ol
CID 61101002
1-(5-bromo-2-methoxyphenyl)-N,N',N'-trimethylmethanediamine
CID 116909226
bromo-(5-bromo-2-methoxyphenyl)methanamine
CID 116947587
1-(5-bromo-2-methoxyphenyl)-2-chloropropan-1-ol
CID 116863652
4-bromo-2-(1-bromo-3,4,4-trimethylpentyl)-1-methoxybenzene
CID 63832446

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-N-methylpropan-1-amine?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-N-methylpropan-1-amine (CID 82089445) is 2-(5-bromo-2-methoxyphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-N-methylpropan-1-amine is CNCC(C)c1cc(Br)ccc1OC.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-N-methylpropan-1-amine?
The InChIKey is VDMIVHCDSBSVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-8(7-13-2)10-6-9(12)4-5-11(10)14-3/h4-6,8,13H,7H2,1-3H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-N-methylpropan-1-amine?
2-(5-bromo-2-methoxyphenyl)-N-methylpropan-1-amine has a molecular weight of 258.16 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 82089445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).